Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805004666/lh6366sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805004666/lh6366Isup2.hkl |
CCDC reference: 269817
Data collection: COLLECT (Nonius, 2000); cell refinement: DENZO–SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2004).
[Sn2(C6H5)5(C5H11NO3)Cl] | Z = 2 |
Mr = 863.39 | F(000) = 860 |
Triclinic, P1 | Dx = 1.636 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.6984 (2) Å | Cell parameters from 47226 reflections |
b = 13.0662 (2) Å | θ = 2.0–30.0° |
c = 13.9410 (3) Å | µ = 1.54 mm−1 |
α = 111.5066 (9)° | T = 160 K |
β = 90.6470 (9)° | Prism, yellow |
γ = 115.4904 (9)° | 0.15 × 0.15 × 0.08 mm |
V = 1752.94 (6) Å3 |
Nonius KappaCCD area-detector diffractometer | 10272 independent reflections |
Radiation source: Nonius FR590 sealed tube generator | 8257 reflections with I > 2σ(I) |
Horizontally mounted graphite crystal monochromator | Rint = 0.060 |
Detector resolution: 9 pixels mm-1 | θmax = 30.1°, θmin = 2.3° |
φ and ω scans with κ offsets | h = −16→16 |
Absorption correction: multi-scan (Blessing, 1995) | k = −18→18 |
Tmin = 0.759, Tmax = 0.881 | l = −19→19 |
57965 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.045 | H-atom parameters constrained |
wR(F2) = 0.113 | w = 1/[σ2(Fo2) + 10.8098P] where P = (Fo2 + 2Fc2)/3 |
S = 1.20 | (Δ/σ)max = 0.001 |
10271 reflections | Δρmax = 1.29 e Å−3 |
436 parameters | Δρmin = −1.06 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0045 (3) |
Experimental. Solvent used: acetone Cooling Device: Oxford Cryosystems Cryostream 700 Crystal mount: glued on a glass fibre Mosaicity (°.): 0.625 (1) Frames collected: 440 Seconds exposure per frame: 30 Degrees rotation per frame: 2.0 Crystal-Detector distance (mm): 30.0 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Sn1 | 0.98658 (3) | 0.22463 (3) | 0.23097 (2) | 0.02001 (9) | |
Sn2 | 0.65404 (3) | −0.24086 (3) | 0.27368 (3) | 0.02289 (9) | |
Cl | 0.49581 (13) | −0.45904 (12) | 0.16666 (13) | 0.0411 (3) | |
O1 | 0.8607 (3) | 0.0588 (3) | 0.2532 (3) | 0.0243 (7) | |
O2 | 0.8169 (3) | −0.0273 (3) | 0.3693 (3) | 0.0268 (7) | |
O3 | 1.1266 (3) | 0.4025 (3) | 0.2628 (3) | 0.0244 (7) | |
N1 | 1.0366 (3) | 0.2809 (3) | 0.3983 (3) | 0.0208 (7) | |
C1 | 0.8780 (4) | 0.0603 (4) | 0.3443 (4) | 0.0204 (8) | |
C2 | 0.9817 (4) | 0.1767 (4) | 0.4305 (4) | 0.0242 (9) | |
H201 | 0.9446 | 0.2004 | 0.4935 | 0.029* | |
H202 | 1.0515 | 0.1599 | 0.4498 | 0.029* | |
C3 | 1.1106 (4) | 0.3927 (4) | 0.4715 (4) | 0.0232 (9) | |
C4 | 1.1590 (4) | 0.5056 (4) | 0.4522 (4) | 0.0237 (9) | |
C5 | 1.1630 (4) | 0.5057 (4) | 0.3512 (4) | 0.0227 (9) | |
C6 | 1.2147 (4) | 0.6195 (4) | 0.3400 (4) | 0.0253 (9) | |
C7 | 1.2577 (5) | 0.7293 (4) | 0.4284 (4) | 0.0316 (11) | |
H7 | 1.2922 | 0.8057 | 0.4208 | 0.038* | |
C8 | 1.2518 (5) | 0.7307 (4) | 0.5287 (4) | 0.0334 (11) | |
H8 | 1.2810 | 0.8073 | 0.5886 | 0.040* | |
C9 | 1.2036 (5) | 0.6206 (4) | 0.5402 (4) | 0.0303 (10) | |
H9 | 1.2003 | 0.6219 | 0.6087 | 0.036* | |
C10 | 0.8317 (4) | 0.2532 (4) | 0.1885 (4) | 0.0238 (9) | |
C11 | 1.0987 (4) | 0.1467 (4) | 0.1454 (3) | 0.0213 (8) | |
C12 | 0.8599 (5) | 0.3576 (4) | 0.1685 (4) | 0.0277 (10) | |
H12 | 0.9459 | 0.4079 | 0.1651 | 0.033* | |
C13 | 0.7636 (5) | 0.3897 (5) | 0.1534 (4) | 0.0325 (11) | |
H13 | 0.7843 | 0.4615 | 0.1403 | 0.039* | |
C14 | 0.6381 (5) | 0.3167 (5) | 0.1577 (4) | 0.0338 (11) | |
H14 | 0.5728 | 0.3392 | 0.1492 | 0.041* | |
C15 | 0.6079 (5) | 0.2113 (5) | 0.1744 (4) | 0.0314 (11) | |
H15 | 0.5213 | 0.1613 | 0.1770 | 0.038* | |
C16 | 0.7030 (5) | 0.1768 (4) | 0.1876 (4) | 0.0249 (9) | |
H16 | 0.6801 | 0.1018 | 0.1958 | 0.030* | |
C17 | 1.0717 (5) | 0.0238 (4) | 0.1177 (4) | 0.0247 (9) | |
H17 | 0.9996 | −0.0293 | 0.1369 | 0.030* | |
C18 | 1.1492 (5) | −0.0216 (5) | 0.0622 (4) | 0.0289 (10) | |
H18 | 1.1308 | −0.1054 | 0.0445 | 0.035* | |
C19 | 1.2537 (5) | 0.0544 (5) | 0.0322 (4) | 0.0309 (11) | |
H19 | 1.3067 | 0.0230 | −0.0060 | 0.037* | |
C20 | 1.2799 (5) | 0.1763 (5) | 0.0585 (4) | 0.0323 (11) | |
H20 | 1.3502 | 0.2282 | 0.0368 | 0.039* | |
C21 | 1.2044 (5) | 0.2234 (4) | 0.1161 (4) | 0.0264 (9) | |
H21 | 1.2247 | 0.3079 | 0.1356 | 0.032* | |
C22 | 1.1466 (6) | 0.4062 (5) | 0.5809 (4) | 0.0353 (12) | |
H221 | 1.0749 | 0.4027 | 0.6174 | 0.053* | |
H222 | 1.2237 | 0.4862 | 0.6196 | 0.053* | |
H223 | 1.1649 | 0.3384 | 0.5770 | 0.053* | |
C23 | 1.2235 (5) | 0.6180 (5) | 0.2320 (4) | 0.0300 (10) | |
H231 | 1.2675 | 0.7037 | 0.2379 | 0.045* | |
H232 | 1.1363 | 0.5751 | 0.1892 | 0.045* | |
H233 | 1.2724 | 0.5744 | 0.1987 | 0.045* | |
C24 | 0.6440 (5) | −0.2429 (5) | 0.4271 (4) | 0.0285 (10) | |
C25 | 0.7358 (5) | −0.1476 (5) | 0.5169 (4) | 0.0326 (11) | |
H25 | 0.8043 | −0.0780 | 0.5112 | 0.039* | |
C26 | 0.7287 (7) | −0.1529 (7) | 0.6154 (5) | 0.0445 (15) | |
H26 | 0.7929 | −0.0883 | 0.6756 | 0.053* | |
C27 | 0.6279 (8) | −0.2525 (8) | 0.6241 (6) | 0.0554 (19) | |
H27 | 0.6231 | −0.2571 | 0.6905 | 0.066* | |
C28 | 0.5342 (7) | −0.3451 (8) | 0.5373 (7) | 0.057 (2) | |
H28 | 0.4634 | −0.4120 | 0.5443 | 0.069* | |
C29 | 0.5426 (6) | −0.3416 (6) | 0.4384 (5) | 0.0422 (14) | |
H29 | 0.4785 | −0.4072 | 0.3785 | 0.051* | |
C30 | 0.5426 (4) | −0.1609 (4) | 0.2392 (4) | 0.0232 (9) | |
C31 | 0.5290 (5) | −0.0718 (4) | 0.3247 (4) | 0.0260 (9) | |
H31 | 0.5739 | −0.0457 | 0.3933 | 0.031* | |
C32 | 0.4513 (5) | −0.0206 (5) | 0.3115 (4) | 0.0300 (10) | |
H32 | 0.4418 | 0.0388 | 0.3707 | 0.036* | |
C33 | 0.3873 (5) | −0.0570 (5) | 0.2109 (4) | 0.0306 (11) | |
H33 | 0.3345 | −0.0217 | 0.2011 | 0.037* | |
C34 | 0.4004 (5) | −0.1443 (5) | 0.1251 (4) | 0.0311 (11) | |
H34 | 0.3568 | −0.1690 | 0.0564 | 0.037* | |
C35 | 0.4774 (5) | −0.1961 (5) | 0.1397 (4) | 0.0266 (9) | |
H35 | 0.4855 | −0.2566 | 0.0805 | 0.032* | |
C36 | 0.8083 (5) | −0.2597 (5) | 0.2050 (4) | 0.0269 (10) | |
C37 | 0.7911 (5) | −0.3318 (5) | 0.0980 (4) | 0.0338 (11) | |
H37 | 0.7087 | −0.3710 | 0.0538 | 0.041* | |
C38 | 0.8924 (6) | −0.3475 (6) | 0.0548 (5) | 0.0416 (13) | |
H38 | 0.8789 | −0.3955 | −0.0184 | 0.050* | |
C39 | 1.0121 (6) | −0.2934 (6) | 0.1180 (6) | 0.0439 (15) | |
H39 | 1.0809 | −0.3047 | 0.0887 | 0.053* | |
C40 | 1.0312 (5) | −0.2240 (6) | 0.2227 (5) | 0.0395 (13) | |
H40 | 1.1134 | −0.1879 | 0.2663 | 0.047* | |
C41 | 0.9327 (5) | −0.2050 (5) | 0.2669 (5) | 0.0322 (11) | |
H41 | 0.9490 | −0.1543 | 0.3398 | 0.039* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.01964 (15) | 0.01710 (15) | 0.02248 (16) | 0.00810 (11) | 0.00489 (11) | 0.00787 (11) |
Sn2 | 0.02073 (15) | 0.02117 (16) | 0.02842 (18) | 0.00992 (12) | 0.00394 (12) | 0.01176 (13) |
Cl | 0.0284 (6) | 0.0219 (6) | 0.0594 (9) | 0.0085 (5) | 0.0006 (6) | 0.0068 (6) |
O1 | 0.0220 (15) | 0.0180 (15) | 0.0268 (17) | 0.0048 (12) | 0.0023 (13) | 0.0085 (13) |
O2 | 0.0259 (16) | 0.0205 (15) | 0.0314 (18) | 0.0061 (13) | 0.0032 (14) | 0.0139 (14) |
O3 | 0.0248 (16) | 0.0156 (14) | 0.0273 (17) | 0.0058 (12) | 0.0079 (13) | 0.0074 (12) |
N1 | 0.0189 (17) | 0.0184 (17) | 0.0259 (19) | 0.0087 (14) | 0.0056 (14) | 0.0099 (15) |
C1 | 0.0175 (19) | 0.0190 (19) | 0.025 (2) | 0.0093 (16) | 0.0045 (16) | 0.0084 (16) |
C2 | 0.023 (2) | 0.022 (2) | 0.029 (2) | 0.0097 (17) | 0.0060 (18) | 0.0127 (18) |
C3 | 0.019 (2) | 0.022 (2) | 0.024 (2) | 0.0080 (17) | 0.0034 (16) | 0.0066 (17) |
C4 | 0.020 (2) | 0.017 (2) | 0.031 (2) | 0.0077 (16) | 0.0049 (17) | 0.0066 (17) |
C5 | 0.0166 (19) | 0.021 (2) | 0.030 (2) | 0.0089 (16) | 0.0071 (17) | 0.0091 (17) |
C6 | 0.019 (2) | 0.019 (2) | 0.037 (3) | 0.0088 (17) | 0.0091 (18) | 0.0118 (19) |
C7 | 0.027 (2) | 0.020 (2) | 0.043 (3) | 0.0078 (19) | 0.008 (2) | 0.013 (2) |
C8 | 0.033 (3) | 0.019 (2) | 0.039 (3) | 0.011 (2) | 0.008 (2) | 0.003 (2) |
C9 | 0.030 (2) | 0.022 (2) | 0.032 (3) | 0.0106 (19) | 0.007 (2) | 0.0060 (19) |
C10 | 0.022 (2) | 0.021 (2) | 0.026 (2) | 0.0095 (17) | 0.0005 (17) | 0.0079 (17) |
C11 | 0.022 (2) | 0.023 (2) | 0.020 (2) | 0.0128 (17) | 0.0031 (16) | 0.0077 (17) |
C12 | 0.028 (2) | 0.023 (2) | 0.028 (2) | 0.0094 (19) | 0.0030 (19) | 0.0103 (19) |
C13 | 0.036 (3) | 0.028 (2) | 0.037 (3) | 0.017 (2) | 0.001 (2) | 0.015 (2) |
C14 | 0.034 (3) | 0.034 (3) | 0.036 (3) | 0.021 (2) | 0.000 (2) | 0.010 (2) |
C15 | 0.020 (2) | 0.038 (3) | 0.036 (3) | 0.013 (2) | 0.0061 (19) | 0.017 (2) |
C16 | 0.026 (2) | 0.022 (2) | 0.029 (2) | 0.0130 (18) | 0.0089 (18) | 0.0114 (18) |
C17 | 0.029 (2) | 0.025 (2) | 0.022 (2) | 0.0134 (19) | 0.0048 (18) | 0.0106 (18) |
C18 | 0.035 (3) | 0.028 (2) | 0.025 (2) | 0.019 (2) | 0.001 (2) | 0.0078 (19) |
C19 | 0.029 (2) | 0.042 (3) | 0.025 (2) | 0.024 (2) | 0.0049 (19) | 0.008 (2) |
C20 | 0.026 (2) | 0.036 (3) | 0.035 (3) | 0.016 (2) | 0.012 (2) | 0.014 (2) |
C21 | 0.024 (2) | 0.026 (2) | 0.028 (2) | 0.0123 (18) | 0.0056 (18) | 0.0089 (19) |
C22 | 0.040 (3) | 0.028 (3) | 0.027 (3) | 0.009 (2) | −0.003 (2) | 0.010 (2) |
C23 | 0.026 (2) | 0.025 (2) | 0.041 (3) | 0.0101 (19) | 0.011 (2) | 0.018 (2) |
C24 | 0.029 (2) | 0.035 (3) | 0.039 (3) | 0.021 (2) | 0.016 (2) | 0.026 (2) |
C25 | 0.036 (3) | 0.046 (3) | 0.031 (3) | 0.026 (2) | 0.013 (2) | 0.023 (2) |
C26 | 0.060 (4) | 0.068 (4) | 0.036 (3) | 0.048 (4) | 0.019 (3) | 0.030 (3) |
C27 | 0.073 (5) | 0.093 (6) | 0.055 (4) | 0.065 (5) | 0.044 (4) | 0.055 (4) |
C28 | 0.054 (4) | 0.077 (5) | 0.085 (6) | 0.039 (4) | 0.042 (4) | 0.066 (5) |
C29 | 0.034 (3) | 0.047 (3) | 0.060 (4) | 0.020 (3) | 0.018 (3) | 0.036 (3) |
C30 | 0.018 (2) | 0.022 (2) | 0.032 (2) | 0.0087 (17) | 0.0054 (17) | 0.0150 (18) |
C31 | 0.026 (2) | 0.022 (2) | 0.030 (2) | 0.0117 (18) | 0.0034 (18) | 0.0107 (18) |
C32 | 0.027 (2) | 0.025 (2) | 0.040 (3) | 0.0137 (19) | 0.006 (2) | 0.013 (2) |
C33 | 0.024 (2) | 0.034 (3) | 0.045 (3) | 0.016 (2) | 0.008 (2) | 0.025 (2) |
C34 | 0.026 (2) | 0.041 (3) | 0.032 (3) | 0.015 (2) | 0.005 (2) | 0.022 (2) |
C35 | 0.024 (2) | 0.030 (2) | 0.026 (2) | 0.0121 (19) | 0.0063 (18) | 0.0121 (19) |
C36 | 0.027 (2) | 0.029 (2) | 0.035 (3) | 0.018 (2) | 0.009 (2) | 0.018 (2) |
C37 | 0.038 (3) | 0.035 (3) | 0.032 (3) | 0.020 (2) | 0.005 (2) | 0.014 (2) |
C38 | 0.056 (4) | 0.047 (3) | 0.038 (3) | 0.034 (3) | 0.022 (3) | 0.021 (3) |
C39 | 0.044 (3) | 0.052 (4) | 0.066 (4) | 0.035 (3) | 0.032 (3) | 0.039 (3) |
C40 | 0.029 (3) | 0.050 (3) | 0.053 (4) | 0.020 (2) | 0.011 (2) | 0.032 (3) |
C41 | 0.022 (2) | 0.038 (3) | 0.042 (3) | 0.016 (2) | 0.006 (2) | 0.020 (2) |
Sn1—O3 | 2.057 (3) | C18—H18 | 0.9500 |
Sn1—C11 | 2.116 (4) | C19—C20 | 1.384 (7) |
Sn1—C10 | 2.119 (4) | C19—H19 | 0.9500 |
Sn1—N1 | 2.160 (4) | C20—C21 | 1.388 (7) |
Sn1—O1 | 2.172 (3) | C20—H20 | 0.9500 |
Sn2—C36 | 2.117 (5) | C21—H21 | 0.9500 |
Sn2—C30 | 2.132 (4) | C22—H221 | 0.9800 |
Sn2—C24 | 2.153 (5) | C22—H222 | 0.9800 |
Sn2—O2 | 2.415 (3) | C22—H223 | 0.9800 |
Sn2—Cl | 2.4610 (13) | C23—H231 | 0.9800 |
O1—C1 | 1.276 (5) | C23—H232 | 0.9800 |
O2—C1 | 1.239 (5) | C23—H233 | 0.9800 |
O3—C5 | 1.340 (5) | C24—C29 | 1.390 (7) |
N1—C3 | 1.313 (6) | C24—C25 | 1.395 (8) |
N1—C2 | 1.472 (6) | C25—C26 | 1.401 (7) |
C1—C2 | 1.506 (6) | C25—H25 | 0.9500 |
C2—H201 | 0.9900 | C26—C27 | 1.377 (10) |
C2—H202 | 0.9900 | C26—H26 | 0.9500 |
C3—C4 | 1.465 (6) | C27—C28 | 1.374 (11) |
C3—C22 | 1.502 (7) | C27—H27 | 0.9500 |
C4—C5 | 1.410 (7) | C28—C29 | 1.398 (9) |
C4—C9 | 1.412 (6) | C28—H28 | 0.9500 |
C5—C6 | 1.414 (6) | C29—H29 | 0.9500 |
C6—C7 | 1.378 (7) | C30—C35 | 1.387 (7) |
C6—C23 | 1.504 (7) | C30—C31 | 1.396 (7) |
C7—C8 | 1.394 (8) | C31—C32 | 1.384 (6) |
C7—H7 | 0.9500 | C31—H31 | 0.9500 |
C8—C9 | 1.374 (7) | C32—C33 | 1.391 (7) |
C8—H8 | 0.9500 | C32—H32 | 0.9500 |
C9—H9 | 0.9500 | C33—C34 | 1.382 (8) |
C10—C12 | 1.394 (6) | C33—H33 | 0.9500 |
C10—C16 | 1.400 (6) | C34—C35 | 1.390 (7) |
C11—C17 | 1.391 (6) | C34—H34 | 0.9500 |
C11—C21 | 1.394 (6) | C35—H35 | 0.9500 |
C12—C13 | 1.398 (7) | C36—C37 | 1.398 (7) |
C12—H12 | 0.9500 | C36—C41 | 1.413 (7) |
C13—C14 | 1.381 (8) | C37—C38 | 1.394 (8) |
C13—H13 | 0.9500 | C37—H37 | 0.9500 |
C14—C15 | 1.375 (7) | C38—C39 | 1.379 (9) |
C14—H14 | 0.9500 | C38—H38 | 0.9500 |
C15—C16 | 1.400 (7) | C39—C40 | 1.361 (9) |
C15—H15 | 0.9500 | C39—H39 | 0.9500 |
C16—H16 | 0.9500 | C40—C41 | 1.385 (8) |
C17—C18 | 1.384 (7) | C40—H40 | 0.9500 |
C17—H17 | 0.9500 | C41—H41 | 0.9500 |
C18—C19 | 1.387 (7) | ||
O3—Sn1—C11 | 91.89 (15) | C11—C17—H17 | 119.8 |
O3—Sn1—C10 | 94.61 (15) | C17—C18—C19 | 120.4 (5) |
C11—Sn1—C10 | 134.26 (17) | C17—C18—H18 | 119.8 |
O3—Sn1—N1 | 84.27 (13) | C19—C18—H18 | 119.8 |
C11—Sn1—N1 | 112.60 (15) | C20—C19—C18 | 119.4 (5) |
C10—Sn1—N1 | 113.09 (16) | C20—C19—H19 | 120.3 |
O3—Sn1—O1 | 160.87 (13) | C18—C19—H19 | 120.3 |
C11—Sn1—O1 | 94.66 (15) | C19—C20—C21 | 120.5 (5) |
C10—Sn1—O1 | 93.64 (15) | C19—C20—H20 | 119.7 |
N1—Sn1—O1 | 76.61 (13) | C21—C20—H20 | 119.7 |
C36—Sn2—C30 | 128.01 (18) | C20—C21—C11 | 120.0 (4) |
C36—Sn2—C24 | 117.50 (18) | C20—C21—H21 | 120.0 |
C30—Sn2—C24 | 111.18 (18) | C11—C21—H21 | 120.0 |
C36—Sn2—O2 | 83.24 (16) | C3—C22—H221 | 109.5 |
C30—Sn2—O2 | 84.30 (14) | C3—C22—H222 | 109.5 |
C24—Sn2—O2 | 84.51 (16) | H221—C22—H222 | 109.5 |
C36—Sn2—Cl | 93.48 (14) | C3—C22—H223 | 109.5 |
C30—Sn2—Cl | 96.33 (13) | H221—C22—H223 | 109.5 |
C24—Sn2—Cl | 98.69 (15) | H222—C22—H223 | 109.5 |
O2—Sn2—Cl | 176.24 (9) | C6—C23—H231 | 109.5 |
C1—O1—Sn1 | 117.5 (3) | C6—C23—H232 | 109.5 |
C1—O2—Sn2 | 134.2 (3) | H231—C23—H232 | 109.5 |
C5—O3—Sn1 | 128.3 (3) | C6—C23—H233 | 109.5 |
C3—N1—C2 | 117.8 (4) | H231—C23—H233 | 109.5 |
C3—N1—Sn1 | 128.5 (3) | H232—C23—H233 | 109.5 |
C2—N1—Sn1 | 113.6 (3) | C29—C24—C25 | 118.2 (5) |
O2—C1—O1 | 125.6 (4) | C29—C24—Sn2 | 119.5 (4) |
O2—C1—C2 | 115.7 (4) | C25—C24—Sn2 | 122.3 (4) |
O1—C1—C2 | 118.7 (4) | C24—C25—C26 | 121.1 (5) |
N1—C2—C1 | 111.9 (4) | C24—C25—H25 | 119.5 |
N1—C2—H201 | 109.2 | C26—C25—H25 | 119.5 |
C1—C2—H201 | 109.2 | C27—C26—C25 | 119.5 (7) |
N1—C2—H202 | 109.2 | C27—C26—H26 | 120.2 |
C1—C2—H202 | 109.2 | C25—C26—H26 | 120.2 |
H201—C2—H202 | 107.9 | C28—C27—C26 | 120.2 (6) |
N1—C3—C4 | 123.2 (4) | C28—C27—H27 | 119.9 |
N1—C3—C22 | 118.7 (4) | C26—C27—H27 | 119.9 |
C4—C3—C22 | 118.1 (4) | C27—C28—C29 | 120.4 (6) |
C5—C4—C9 | 118.5 (4) | C27—C28—H28 | 119.8 |
C5—C4—C3 | 123.8 (4) | C29—C28—H28 | 119.8 |
C9—C4—C3 | 117.7 (4) | C24—C29—C28 | 120.5 (6) |
O3—C5—C4 | 123.5 (4) | C24—C29—H29 | 119.7 |
O3—C5—C6 | 116.4 (4) | C28—C29—H29 | 119.7 |
C4—C5—C6 | 120.0 (4) | C35—C30—C31 | 118.2 (4) |
C7—C6—C5 | 119.3 (5) | C35—C30—Sn2 | 124.9 (4) |
C7—C6—C23 | 121.5 (4) | C31—C30—Sn2 | 116.8 (3) |
C5—C6—C23 | 119.2 (4) | C32—C31—C30 | 121.3 (5) |
C6—C7—C8 | 121.5 (5) | C32—C31—H31 | 119.3 |
C6—C7—H7 | 119.3 | C30—C31—H31 | 119.3 |
C8—C7—H7 | 119.3 | C31—C32—C33 | 119.4 (5) |
C9—C8—C7 | 119.5 (5) | C31—C32—H32 | 120.3 |
C9—C8—H8 | 120.2 | C33—C32—H32 | 120.3 |
C7—C8—H8 | 120.2 | C34—C33—C32 | 120.2 (5) |
C8—C9—C4 | 121.2 (5) | C34—C33—H33 | 119.9 |
C8—C9—H9 | 119.4 | C32—C33—H33 | 119.9 |
C4—C9—H9 | 119.4 | C33—C34—C35 | 119.8 (5) |
C12—C10—C16 | 118.4 (4) | C33—C34—H34 | 120.1 |
C12—C10—Sn1 | 118.7 (3) | C35—C34—H34 | 120.1 |
C16—C10—Sn1 | 122.7 (3) | C30—C35—C34 | 121.1 (5) |
C17—C11—C21 | 119.2 (4) | C30—C35—H35 | 119.4 |
C17—C11—Sn1 | 123.0 (3) | C34—C35—H35 | 119.4 |
C21—C11—Sn1 | 117.7 (3) | C37—C36—C41 | 116.6 (5) |
C10—C12—C13 | 121.1 (5) | C37—C36—Sn2 | 122.1 (4) |
C10—C12—H12 | 119.4 | C41—C36—Sn2 | 121.2 (4) |
C13—C12—H12 | 119.4 | C38—C37—C36 | 121.4 (5) |
C14—C13—C12 | 119.7 (5) | C38—C37—H37 | 119.3 |
C14—C13—H13 | 120.2 | C36—C37—H37 | 119.3 |
C12—C13—H13 | 120.1 | C39—C38—C37 | 120.2 (6) |
C15—C14—C13 | 120.0 (5) | C39—C38—H38 | 119.9 |
C15—C14—H14 | 120.0 | C37—C38—H38 | 119.9 |
C13—C14—H14 | 120.0 | C40—C39—C38 | 119.7 (5) |
C14—C15—C16 | 120.9 (5) | C40—C39—H39 | 120.2 |
C14—C15—H15 | 119.6 | C38—C39—H39 | 120.2 |
C16—C15—H15 | 119.6 | C39—C40—C41 | 121.0 (5) |
C10—C16—C15 | 119.8 (4) | C39—C40—H40 | 119.5 |
C10—C16—H16 | 120.1 | C41—C40—H40 | 119.5 |
C15—C16—H16 | 120.1 | C40—C41—C36 | 121.0 (5) |
C18—C17—C11 | 120.4 (4) | C40—C41—H41 | 119.5 |
C18—C17—H17 | 119.8 | C36—C41—H41 | 119.5 |
O3—Sn1—O1—C1 | −4.4 (6) | O1—Sn1—C11—C21 | −176.2 (3) |
C11—Sn1—O1—C1 | 105.2 (3) | C16—C10—C12—C13 | 3.4 (7) |
C10—Sn1—O1—C1 | −119.8 (3) | Sn1—C10—C12—C13 | −171.8 (4) |
N1—Sn1—O1—C1 | −7.0 (3) | C10—C12—C13—C14 | −0.4 (8) |
C36—Sn2—O2—C1 | 68.0 (4) | C12—C13—C14—C15 | −1.5 (8) |
C30—Sn2—O2—C1 | −61.4 (4) | C13—C14—C15—C16 | 0.2 (8) |
C24—Sn2—O2—C1 | −173.4 (4) | C12—C10—C16—C15 | −4.6 (7) |
C11—Sn1—O3—C5 | −142.5 (4) | Sn1—C10—C16—C15 | 170.4 (4) |
C10—Sn1—O3—C5 | 82.9 (4) | C14—C15—C16—C10 | 2.9 (8) |
N1—Sn1—O3—C5 | −29.9 (4) | C21—C11—C17—C18 | 0.4 (7) |
O1—Sn1—O3—C5 | −32.4 (6) | Sn1—C11—C17—C18 | −179.6 (3) |
O3—Sn1—N1—C3 | 9.9 (4) | C11—C17—C18—C19 | −1.0 (7) |
C11—Sn1—N1—C3 | 99.6 (4) | C17—C18—C19—C20 | 0.1 (7) |
C10—Sn1—N1—C3 | −82.6 (4) | C18—C19—C20—C21 | 1.3 (8) |
O1—Sn1—N1—C3 | −170.9 (4) | C19—C20—C21—C11 | −1.9 (8) |
O3—Sn1—N1—C2 | −168.1 (3) | C17—C11—C21—C20 | 1.1 (7) |
C11—Sn1—N1—C2 | −78.4 (3) | Sn1—C11—C21—C20 | −179.0 (4) |
C10—Sn1—N1—C2 | 99.4 (3) | C36—Sn2—C24—C29 | −112.9 (4) |
O1—Sn1—N1—C2 | 11.1 (3) | C30—Sn2—C24—C29 | 86.0 (4) |
Sn2—O2—C1—O1 | 5.0 (7) | O2—Sn2—C24—C29 | 167.7 (4) |
Sn2—O2—C1—C2 | −174.4 (3) | Cl—Sn2—C24—C29 | −14.3 (4) |
Sn1—O1—C1—O2 | −178.1 (3) | C36—Sn2—C24—C25 | 67.6 (4) |
Sn1—O1—C1—C2 | 1.3 (5) | C30—Sn2—C24—C25 | −93.6 (4) |
C3—N1—C2—C1 | 168.0 (4) | O2—Sn2—C24—C25 | −11.9 (4) |
Sn1—N1—C2—C1 | −13.8 (4) | Cl—Sn2—C24—C25 | 166.1 (4) |
O2—C1—C2—N1 | −172.1 (4) | C29—C24—C25—C26 | 2.1 (8) |
O1—C1—C2—N1 | 8.5 (6) | Sn2—C24—C25—C26 | −178.4 (4) |
C2—N1—C3—C4 | −172.8 (4) | C24—C25—C26—C27 | −1.4 (8) |
Sn1—N1—C3—C4 | 9.3 (6) | C25—C26—C27—C28 | −0.8 (9) |
C2—N1—C3—C22 | 6.6 (6) | C26—C27—C28—C29 | 2.2 (10) |
Sn1—N1—C3—C22 | −171.3 (3) | C25—C24—C29—C28 | −0.6 (8) |
N1—C3—C4—C5 | −18.4 (7) | Sn2—C24—C29—C28 | 179.8 (5) |
C22—C3—C4—C5 | 162.2 (5) | C27—C28—C29—C24 | −1.5 (10) |
N1—C3—C4—C9 | 161.5 (4) | C36—Sn2—C30—C35 | 54.3 (5) |
C22—C3—C4—C9 | −17.9 (7) | C24—Sn2—C30—C35 | −147.1 (4) |
Sn1—O3—C5—C4 | 31.3 (6) | O2—Sn2—C30—C35 | 131.1 (4) |
Sn1—O3—C5—C6 | −152.4 (3) | Cl—Sn2—C30—C35 | −45.2 (4) |
C9—C4—C5—O3 | 178.1 (4) | C36—Sn2—C30—C31 | −129.7 (4) |
C3—C4—C5—O3 | −2.1 (7) | C24—Sn2—C30—C31 | 29.0 (4) |
C9—C4—C5—C6 | 1.9 (7) | O2—Sn2—C30—C31 | −52.8 (3) |
C3—C4—C5—C6 | −178.2 (4) | Cl—Sn2—C30—C31 | 130.9 (3) |
O3—C5—C6—C7 | −178.0 (4) | C35—C30—C31—C32 | 0.9 (7) |
C4—C5—C6—C7 | −1.6 (7) | Sn2—C30—C31—C32 | −175.5 (4) |
O3—C5—C6—C23 | 1.0 (6) | C30—C31—C32—C33 | −1.2 (7) |
C4—C5—C6—C23 | 177.4 (4) | C31—C32—C33—C34 | 0.6 (7) |
C5—C6—C7—C8 | 0.2 (7) | C32—C33—C34—C35 | 0.2 (7) |
C23—C6—C7—C8 | −178.7 (5) | C31—C30—C35—C34 | −0.1 (7) |
C6—C7—C8—C9 | 0.8 (8) | Sn2—C30—C35—C34 | 176.0 (4) |
C7—C8—C9—C4 | −0.5 (8) | C33—C34—C35—C30 | −0.5 (7) |
C5—C4—C9—C8 | −0.9 (7) | C30—Sn2—C36—C37 | −62.7 (5) |
C3—C4—C9—C8 | 179.2 (5) | C24—Sn2—C36—C37 | 139.8 (4) |
O3—Sn1—C10—C12 | 14.6 (4) | O2—Sn2—C36—C37 | −140.0 (4) |
C11—Sn1—C10—C12 | −82.6 (4) | Cl—Sn2—C36—C37 | 38.1 (4) |
N1—Sn1—C10—C12 | 100.3 (4) | C30—Sn2—C36—C41 | 120.8 (4) |
O1—Sn1—C10—C12 | 177.3 (4) | C24—Sn2—C36—C41 | −36.8 (5) |
O3—Sn1—C10—C16 | −160.4 (4) | O2—Sn2—C36—C41 | 43.4 (4) |
C11—Sn1—C10—C16 | 102.5 (4) | Cl—Sn2—C36—C41 | −138.4 (4) |
N1—Sn1—C10—C16 | −74.6 (4) | C41—C36—C37—C38 | −0.6 (8) |
O1—Sn1—C10—C16 | 2.3 (4) | Sn2—C36—C37—C38 | −177.3 (4) |
O3—Sn1—C11—C17 | 165.8 (4) | C36—C37—C38—C39 | 1.3 (9) |
C10—Sn1—C11—C17 | −95.9 (4) | C37—C38—C39—C40 | −0.5 (9) |
N1—Sn1—C11—C17 | 81.2 (4) | C38—C39—C40—C41 | −0.9 (9) |
O1—Sn1—C11—C17 | 3.8 (4) | C39—C40—C41—C36 | 1.6 (8) |
O3—Sn1—C11—C21 | −14.2 (4) | C37—C36—C41—C40 | −0.8 (7) |
C10—Sn1—C11—C21 | 84.1 (4) | Sn2—C36—C41—C40 | 175.9 (4) |
N1—Sn1—C11—C21 | −98.7 (4) |